BALL::EnergeticEvaluation Class Reference
[Docking of molecular structures]
#include <BALL/STRUCTURE/DOCKING/energeticEvaluation.h>
Inheritance diagram for BALL::EnergeticEvaluation:
Public Member Functions | |
| EnergeticEvaluation () | |
| virtual | ~EnergeticEvaluation () |
| virtual std::vector < ConformationSet::Conformation > | operator() (ConformationSet &conformations) |
Detailed Description
Base class for energetic evaluators of docking results. This trivial class will return the identity scoring, leaving permutation and score unchanged.
Constructor & Destructor Documentation
| BALL::EnergeticEvaluation::EnergeticEvaluation | ( | ) |
| virtual BALL::EnergeticEvaluation::~EnergeticEvaluation | ( | ) | [virtual] |
Member Function Documentation
| virtual std::vector<ConformationSet::Conformation> BALL::EnergeticEvaluation::operator() | ( | ConformationSet & | conformations | ) | [virtual] |
Operations
Reimplemented in BALL::ForceFieldEvaluation, and BALL::RandomEvaluation.